(1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide

C9H13NO3S — CID 163877486

IUPAC(1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)[C@]12CC[C@H]1C2
InChIInChI=1S/C9H13NO3S/c11-8(9-4-3-6(9)5-9)10-14(12,13)7-1-2-7/h6-7H,1-5H2,(H,10,11)/t6-,9-/m0/s1
InChIKeyPQENWYCGXBURQN-RCOVLWMOSA-N
MW215.27 g/mol
LogP0.39
Rot. Bonds3

About (1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide

(1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide (PubChem CID 163877486) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is (1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide.

Molecular Properties

Compound Name(1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide
PubChem CID163877486
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name(1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)[C@]12CC[C@H]1C2
InChIInChI=1S/C9H13NO3S/c11-8(9-4-3-6(9)5-9)10-14(12,13)7-1-2-7/h6-7H,1-5H2,(H,10,11)/t6-,9-/m0/s1
InChIKeyPQENWYCGXBURQN-RCOVLWMOSA-N
XLogP0.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-cyclopropylsulfonyloxane-4-carboxamide
CID 103308370
[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]azanium
CID 140594460
[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamic acid
CID 66896767
N-cyclopropylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103308296
[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamic acid;hydrochloride
CID 67068429
2-(1-aminocyclohexyl)-N-cyclopropylsulfonylacetamide
CID 103308551
N-hydroxycyclopropanesulfonamide
CID 174466142
1-cyclopropylsulfonyl-3-propan-2-ylurea
CID 130380279
(Z)-4-(cyclopropylsulfonylamino)-3-hydroxy-4-oxobut-2-enoic acid
CID 54713735
N-[4-(trifluoromethyl)cyclohexyl]sulfonylspiro[2.5]octane-2-carboxamide
CID 136543574
(1R,2R,4R)-2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 7025480
N-cyclopropylsulfonyl-3-(methylamino)propanamide
CID 103308490

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide?
The IUPAC name of (1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide (CID 163877486) is (1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide.
What is the SMILES notation for (1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide?
The canonical SMILES for (1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide is O=C(NS(=O)(=O)C1CC1)[C@]12CC[C@H]1C2.
What is the InChIKey of (1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide?
The InChIKey is PQENWYCGXBURQN-RCOVLWMOSA-N. The full InChI is InChI=1S/C9H13NO3S/c11-8(9-4-3-6(9)5-9)10-14(12,13)7-1-2-7/h6-7H,1-5H2,(H,10,11)/t6-,9-/m0/s1.
What are the key properties of (1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide?
(1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide has a molecular weight of 215.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-N-cyclopropylsulfonylbicyclo[2.1.0]pentane-1-carboxamide is sourced from PubChem (CID 163877486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).